2-[2-(methylaminooxy)ethyl]phenol

C9H13NO2 — CID 105433402

IUPAC2-[2-(methylaminooxy)ethyl]phenol
SMILESCNOCCc1ccccc1O
InChIInChI=1S/C9H13NO2/c1-10-12-7-6-8-4-2-3-5-9(8)11/h2-5,10-11H,6-7H2,1H3
InChIKeyHJNVNGLTBHJTAC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.09
Rot. Bonds4

About 2-[2-(methylaminooxy)ethyl]phenol

2-[2-(methylaminooxy)ethyl]phenol (PubChem CID 105433402) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[2-(methylaminooxy)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(methylaminooxy)ethyl]phenol
PubChem CID105433402
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-[2-(methylaminooxy)ethyl]phenol
SMILESCNOCCc1ccccc1O
InChIInChI=1S/C9H13NO2/c1-10-12-7-6-8-4-2-3-5-9(8)11/h2-5,10-11H,6-7H2,1H3
InChIKeyHJNVNGLTBHJTAC-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyphenyl)-N-(2-methoxyethoxy)propanamide
CID 79675926
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
CID 175749710
CID 175749710
2-(2-hydroxyphenyl)-N-(2-methoxyethoxy)acetamide
CID 79679652
2-ethylphenol;N-methylmethanamine
CID 118325670
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
2-(2-methoxyethoxymethyl)phenol
CID 21397612
2-[2-(ethylamino)ethyl]phenol;hydrochloride
CID 68825944
2-[2-(methylsulfamoylamino)ethyl]phenol
CID 110614890
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
2-(3-hydroxy-7-methyloctyl)phenol
CID 173316016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminooxy)ethyl]phenol?
The IUPAC name of 2-[2-(methylaminooxy)ethyl]phenol (CID 105433402) is 2-[2-(methylaminooxy)ethyl]phenol.
What is the SMILES notation for 2-[2-(methylaminooxy)ethyl]phenol?
The canonical SMILES for 2-[2-(methylaminooxy)ethyl]phenol is CNOCCc1ccccc1O.
What is the InChIKey of 2-[2-(methylaminooxy)ethyl]phenol?
The InChIKey is HJNVNGLTBHJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-12-7-6-8-4-2-3-5-9(8)11/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 2-[2-(methylaminooxy)ethyl]phenol?
2-[2-(methylaminooxy)ethyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminooxy)ethyl]phenol is sourced from PubChem (CID 105433402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).